Detailed information for compound 1256515

Basic information

Technical information
  • TDR Targets ID: 1256515
  • Name: N-[4-(diethylcarbamoyl)phenyl]-4-(3-methyl-4- oxophthalazin-1-yl)benzamide
  • MW: 454.52 | Formula: C27H26N4O3
  • H donors: 1 H acceptors: 3 LogP: 3.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)c1nn(C)c(=O)c2c1cccc2)CC
  • InChi: 1S/C27H26N4O3/c1-4-31(5-2)26(33)20-14-16-21(17-15-20)28-25(32)19-12-10-18(11-13-19)24-22-8-6-7-9-23(22)27(34)30(3)29-24/h6-17H,4-5H2,1-3H3,(H,28,32)
  • InChiKey: SBHBGYLSQRUSCM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(diethylcarbamoyl)phenyl]-4-(3-methyl-4-oxo-phthalazin-1-yl)benzamide
  • N-[4-(diethylamino-oxomethyl)phenyl]-4-(3-methyl-4-oxo-1-phthalazinyl)benzamide
  • N-[4-(diethylcarbamoyl)phenyl]-4-(4-keto-3-methyl-phthalazin-1-yl)benzamide
  • N-{4-[(diethylamino)carbonyl]phenyl}-4-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzamide
  • SMR000293823
  • STK263778
  • NCGC00101399-01
  • MLS000625045

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi PHD-finger family protein 0.0035 0.0681 0.0752
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.004 0.0023
Brugia malayi Bromodomain containing protein 0.0035 0.0681 0.0752
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1712 1
Plasmodium falciparum thioredoxin reductase 0.0043 0.0885 1
Brugia malayi jmjC domain containing protein 0.0044 0.0931 0.1039
Brugia malayi Thioredoxin reductase 0.0043 0.0885 0.0986
Loa Loa (eye worm) hypothetical protein 0.0043 0.0904 0.1031
Echinococcus granulosus lysine specific demethylase 6a 0.0011 0.0036 0.0036
Brugia malayi jmjC domain containing protein 0.0011 0.0036 0.0015
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0904 0.1031
Loa Loa (eye worm) hypothetical protein 0.0043 0.0904 0.1031
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0681 0.3848
Plasmodium falciparum glutathione reductase 0.0015 0.0129 0.11
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0606 0.0692
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.0885 0.9776
Plasmodium falciparum phd finger protein, putative 0.0035 0.0681 0.7595
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1712 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.1075
Echinococcus granulosus cpg binding protein 0.0034 0.0656 0.0656
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.038 0.9996 0.9996
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0129 0.0129
Brugia malayi jmjC domain containing protein 0.0011 0.0036 0.0015
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.0557
Onchocerca volvulus Alhambra homolog 0.0035 0.0681 0.2491
Mycobacterium tuberculosis Conserved protein 0.0043 0.0904 0.109
Onchocerca volvulus 0.0043 0.0904 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0904 0.109
Mycobacterium ulcerans lipase LipD 0.0043 0.0904 0.4899
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0904 0.109
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0904 0.4899
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0098 0.2366 0.3146
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0904 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0013 0.0086 0.0086
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0931 0.0899
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0129 0.0557
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0098 0.2366 0.3146
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0904 0.4899
Plasmodium falciparum thioredoxin reductase 0.0015 0.0129 0.11
Entamoeba histolytica protein kinase, putative 0.038 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1361 0.1552
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0904 0.109
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0931 0.1062
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0098 0.2366 0.3146
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0098 0.2366 0.3146
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0015 0.0129 0.0557
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.0885 0.1063
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0129 0.0122
Mycobacterium tuberculosis Probable dehydrogenase 0.0098 0.2366 0.3146
Mycobacterium ulcerans beta-lactamase 0.0043 0.0904 0.4899
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0904 1
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0308 0.0326
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0015 0.0129 0.11
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1712 0.1682
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7242 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0098 0.2366 0.8324
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.1075
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0904 0.0904
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0015 0.0129 0.1075
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0129 0.5
Echinococcus multilocularis lysine specific demethylase 6a 0.0011 0.0036 0.0036
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2206 0.2178
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0904 0.109
Loa Loa (eye worm) hypothetical protein 0.0011 0.0036 0.0041
Loa Loa (eye worm) hypothetical protein 0.0013 0.009 0.0102
Echinococcus granulosus peregrin 0.0035 0.0681 0.0681
Echinococcus multilocularis cpg binding protein 0.0034 0.0656 0.0656
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0036 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0334 0.8768 0.8763
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.038 1 1
Brugia malayi PHD-finger family protein 0.0013 0.009 0.0077
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0881 0.0881
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.038 0.9996 0.9996
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0681 0.0647
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0015 0.0129 0.1075
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0681 0.3848
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0258 0.0223
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0334 0.8768 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0904 0.5183
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.1075
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0108 0.2661 0.356
Schistosoma mansoni serine/threonine protein kinase 0.038 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0931 0.0931
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1712 1
Toxoplasma gondii thioredoxin reductase 0.0043 0.0885 0.5067
Echinococcus multilocularis JmjC domain containing protein 4 0.0011 0.0036 0.0036
Plasmodium vivax glutathione reductase, putative 0.0043 0.0885 0.9776
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0904 0.0904
Mycobacterium ulcerans hypothetical protein 0.0043 0.0904 0.4899
Treponema pallidum NADH oxidase 0.0015 0.0129 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1712 0.1682
Plasmodium vivax hypothetical protein, conserved 0.0013 0.0093 0.0661
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0904 0.109
Entamoeba histolytica protein kinase, putative 0.038 1 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1712 0.2225
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0904 0.1008
Mycobacterium tuberculosis Probable reductase 0.0098 0.2366 0.3146
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0931 0.0899
Giardia lamblia PHD finger protein 15 0.0035 0.0681 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0015 0.0129 0.1075
Echinococcus granulosus phd:f box containing protein 0.0011 0.0036 0.0036
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0036 0.0041
Loa Loa (eye worm) hypothetical protein 0.0043 0.0904 0.1031
Brugia malayi jmjC domain containing protein 0.0011 0.0036 0.0015
Brugia malayi AF-10 protein 0.0012 0.004 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.1075
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0904 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1712 0.1712
Echinococcus multilocularis peregrin 0.0035 0.0681 0.0681
Mycobacterium tuberculosis Conserved protein 0.0043 0.0904 0.109
Mycobacterium tuberculosis Probable oxidoreductase 0.0108 0.2661 0.356
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1695 0.1933
Leishmania major trypanothione reductase 0.0043 0.0885 0.5067
Schistosoma mansoni cpg binding protein 0.0034 0.0656 0.0623
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.004 0.0045
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.0885 0.1009
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0036 0.0041
Brugia malayi beta-lactamase family protein 0.0043 0.0904 0.1008
Brugia malayi beta-lactamase family protein 0.0043 0.0904 0.1008
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2847 0.2847
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.09 0.09
Schistosoma mansoni hypothetical protein 0.0035 0.0681 0.0647
Leishmania major hypothetical protein, conserved 0.0043 0.0904 0.5183
Echinococcus multilocularis phd:f box containing protein 0.0011 0.0036 0.0036
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2847 0.2847
Schistosoma mansoni cpg binding protein 0.0034 0.0656 0.0623
Schistosoma mansoni hypothetical protein 0.0012 0.004 0.0004
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0013 0.0086 0.0086
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1054 0.1054
Brugia malayi beta-lactamase 0.0043 0.0904 0.1008
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0011 0.0036 0.0041
Brugia malayi jmjC domain containing protein 0.0115 0.2847 0.323
Schistosoma mansoni cpg binding protein 0.0032 0.0606 0.0573
Brugia malayi glutathione reductase 0.0043 0.0885 0.0986
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0129 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0681 0.0776
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0129 0.0094
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0681 0.7424
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0015 0.0129 0.11
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0681 0.0776
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.1392 0.8092
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0904 0.109
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0904 0.0872
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0129 0.1075
Trypanosoma cruzi trypanothione reductase, putative 0.0015 0.0129 0.1075
Loa Loa (eye worm) glutathione reductase 0.0043 0.0885 0.1009
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1712 0.1712
Loa Loa (eye worm) beta-lactamase 0.0043 0.0904 0.1031
Echinococcus multilocularis jumonji domain containing 1A 0.0011 0.0036 0.0036
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1054 0.1054
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0015 0.0129 0.0557
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0904 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0904 0.1031
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.1075
Mycobacterium tuberculosis Conserved protein 0.0043 0.0904 0.109
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0129 0.1075
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0108 0.2661 0.356
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0904 1
Plasmodium falciparum glutathione reductase 0.0043 0.0885 1
Brugia malayi Protein kinase domain containing protein 0.0334 0.8768 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.09 0.09
Brugia malayi jmjC domain containing protein 0.0011 0.0036 0.0015
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0129 0.1075
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0129 0.0557
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1712 1
Onchocerca volvulus 0.0043 0.0904 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.1075
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.0885 0.9776
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0904 1
Onchocerca volvulus 0.0043 0.0904 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0904 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0904 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0015 0.0129 0.1075
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.004 0.0045
Trichomonas vaginalis esterase, putative 0.0043 0.0904 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0681 0.0681
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0904 0.0872
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0129 0.0129
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0108 0.2661 1
Echinococcus granulosus jumonji domain containing 1A 0.0011 0.0036 0.0036
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0904 0.109
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1712 1
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0013 0.0093 0.0676
Trypanosoma brucei trypanothione reductase 0.0043 0.0885 0.9776
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0129 0.5
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.004 0.0023
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.1591 0.1561
Loa Loa (eye worm) hypothetical protein 0.0043 0.0904 0.1031
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0129 0.1075
Brugia malayi CXXC zinc finger family protein 0.0032 0.0606 0.0667
Loa Loa (eye worm) hypothetical protein 0.0043 0.0904 0.1031
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0129 0.0557
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0904 1
Echinococcus granulosus JmjC domain containing protein 4 0.0011 0.0036 0.0036

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.